SCHEMBL2194453

SCHEMBL2194453

C[C@H]1COc2c(F)c(F)c([N+](=O)[O-])c3c(=O)c(C(=O)O)cn1c23

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 4/20 0.56
TOP2B Q02880 4/20 0.56
GSK3B P49841 8/20 0.49
KDM4E B2RXH2 6/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ALB P02768 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
AADAT Q8N5Z0 2/20 0.47
TUBB4A P04350 1/20 0.47
POLB P06746 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2194978 0.91 GSK3B (0.50) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL2570884 0.86 TOP2A (0.42) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL1345435 0.86 TOP2A (0.42) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL1345437 0.86 TOP2A (0.42) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL2570886 0.86 TOP2A (0.42) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL6007708 0.83 GSK3B (0.64) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL6007712 0.83 GSK3B (0.64) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL30306157 0.83 GSK3B (0.64) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL10813276 0.82 KDM4E (0.41) TOP2ATOP2BGSK3BKDM4EKMT2A
SCHEMBL9148784 0.78 TOP2A (0.51) TOP2ATOP2BGSK3BKDM4EKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3630779-B1 ANTIBIOTIC RESISTANCE BREAKERS KING S COLLEGE LONDON (GB) 2025-09-03 EP disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
US-11746116-B2 Antibiotic resistance breakers KING'S COLLEGE LONDON (GB) 2023-09-05 US disclosed
CN-110869373-B Antibiotic resistance disruptors 伦敦皇家学院 2023-03-07 CN disclosed
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 US disclosed
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 US disclosed
US-8389514-B2 Cyanoaminoquinolones and tetrazoloaminoquinolones as GSK-3 inhibitors KYORIN PHARMACEUTICAL CO., LTD. (JP) 2013-03-05 US disclosed
EP-2203458-B1 CYANOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN SEIYAKU KK (JP) 2011-11-02 EP disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS KYORIN PHARMACEUTICAL CO., LTD. (JP) 2011-07-14 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11746116-B2 Antibiotic resistance breakers ABCC1, ARL1, AKR1C3 TOP2A 1099/4885TOP2B 1046/4885GSK3B 416/4885
US-20110172219-A1 CYANOAMINOQUINOLONES AND TETRAZOLOAMINOQUINOLONES AS GSK-3 INHIBITORS GSK3A, GSK3B, GSKIP TOP2A 101/4885TOP2B 302/4885GSK3B 2/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.